==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER APOPTOSIS 17-JUN-03 1PQ1 . COMPND 2 MOLECULE: APOPTOSIS REGULATOR BCL-X; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR X.LIU,S.DAI,Y.ZHU,P.MARRACK,J.W.KAPPLER . 180 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9167.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 77.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 61.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 1 0 0 1 0 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 107 0, 0.0 5,-0.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -43.1 12.4 12.5 18.1 2 2 A S > - 0 0 68 1,-0.2 3,-0.8 2,-0.1 4,-0.4 0.352 360.0-101.8 -13.0 161.4 13.7 11.1 21.4 3 3 A Q T 3> S+ 0 0 110 1,-0.2 4,-1.9 2,-0.1 -1,-0.2 0.579 107.8 89.7 -77.1 -4.1 15.1 7.5 21.2 4 4 A S H 3> S+ 0 0 28 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.861 80.3 54.9 -58.1 -41.4 11.9 6.2 22.8 5 5 A N H <> S+ 0 0 1 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.916 108.7 46.2 -62.3 -44.8 10.2 5.8 19.4 6 6 A R H > S+ 0 0 105 -4,-0.4 4,-2.7 -5,-0.2 5,-0.2 0.891 111.8 53.3 -65.0 -37.1 12.9 3.5 18.0 7 7 A E H X S+ 0 0 82 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.881 109.2 48.6 -63.8 -38.5 12.8 1.6 21.2 8 8 A L H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.906 111.3 50.1 -68.4 -40.8 9.1 1.1 21.0 9 9 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.941 111.9 46.4 -63.6 -48.3 9.4 -0.0 17.3 10 10 A V H X S+ 0 0 37 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.928 114.6 47.4 -61.3 -45.0 12.1 -2.6 18.1 11 11 A D H X S+ 0 0 23 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.937 114.0 47.2 -62.6 -44.8 10.2 -4.0 21.1 12 12 A F H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.916 114.8 44.7 -65.3 -43.6 7.0 -4.2 19.2 13 13 A L H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.888 112.8 51.2 -68.4 -38.2 8.4 -5.9 16.1 14 14 A S H X S+ 0 0 33 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.2 0.911 111.5 49.7 -63.9 -40.5 10.5 -8.3 18.2 15 15 A Y H X S+ 0 0 50 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.941 111.3 46.5 -63.5 -49.4 7.3 -9.2 20.1 16 16 A K H < S+ 0 0 7 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.875 112.0 51.6 -63.6 -35.6 5.2 -9.8 17.0 17 17 A L H ><>S+ 0 0 3 -4,-2.4 5,-2.3 1,-0.2 3,-1.1 0.871 105.4 56.3 -68.4 -33.1 8.0 -11.9 15.5 18 18 A S H ><5S+ 0 0 65 -4,-1.8 3,-1.5 1,-0.3 -1,-0.2 0.851 99.4 59.9 -67.3 -30.3 8.1 -14.0 18.6 19 19 A Q T 3<5S+ 0 0 77 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.672 106.3 48.3 -70.9 -15.0 4.4 -14.8 18.3 20 20 A K T < 5S- 0 0 103 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.217 127.1 -98.6-106.2 10.4 5.3 -16.4 14.9 21 21 A G T < 5S+ 0 0 69 -3,-1.5 2,-0.4 1,-0.3 -3,-0.2 0.823 81.7 128.8 78.1 32.6 8.2 -18.4 16.3 22 22 A Y < - 0 0 99 -5,-2.3 2,-0.5 -8,-0.1 -1,-0.3 -0.932 45.6-153.3-124.5 146.9 10.9 -16.0 15.2 23 23 A S - 0 0 128 -2,-0.4 2,-0.5 -5,-0.1 -8,-0.1 -0.973 14.8-160.7-118.9 121.8 13.9 -14.4 17.0 24 24 A W - 0 0 40 -2,-0.5 -6,-0.0 -10,-0.1 -7,-0.0 -0.897 22.0-137.2-111.1 130.6 15.2 -11.2 15.6 25 25 A S - 0 0 96 -2,-0.5 -1,-0.1 1,-0.1 3,-0.1 0.776 29.8-142.8 -47.8 -34.6 18.7 -9.7 16.3 26 26 A Q + 0 0 43 1,-0.2 -1,-0.1 -16,-0.0 2,-0.1 0.734 56.4 128.6 71.9 24.6 17.1 -6.3 16.8 27 27 A F 0 0 60 1,-0.1 -1,-0.2 -17,-0.0 -2,-0.0 -0.205 360.0 360.0 -97.8-169.7 20.1 -4.7 15.1 28 28 A S 0 0 111 -3,-0.1 -1,-0.1 -2,-0.1 89,-0.0 -0.443 360.0 360.0 69.0 360.0 20.6 -2.3 12.2 29 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 30 78 A R 0 0 110 0, 0.0 115,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 101.6 1.8 9.4 37.0 31 79 A E + 0 0 184 1,-0.2 2,-0.4 111,-0.0 110,-0.1 0.643 360.0 46.7 -71.9 -14.9 2.9 12.2 34.7 32 80 A V S S+ 0 0 125 109,-0.1 -1,-0.2 2,-0.0 0, 0.0 -0.982 71.3 170.4-132.3 121.8 6.2 10.3 34.3 33 81 A I - 0 0 42 -2,-0.4 2,-0.1 -3,-0.1 108,-0.1 -0.935 35.9 -99.4-131.4 155.6 6.3 6.6 33.6 34 82 A P >> - 0 0 88 0, 0.0 3,-1.4 0, 0.0 4,-1.0 -0.393 29.3-122.3 -70.9 147.9 9.0 4.1 32.6 35 83 A M H 3> S+ 0 0 47 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.756 109.5 70.9 -59.9 -24.0 9.3 3.1 28.9 36 84 A A H 3> S+ 0 0 68 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.865 98.9 47.2 -61.0 -35.5 8.8 -0.5 30.1 37 85 A A H <> S+ 0 0 37 -3,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.805 110.3 52.3 -75.5 -30.5 5.2 0.3 30.8 38 86 A V H X S+ 0 0 3 -4,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.944 110.0 48.4 -69.2 -47.6 4.8 2.1 27.5 39 87 A K H X S+ 0 0 61 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.911 112.1 49.6 -56.7 -46.2 6.1 -1.0 25.6 40 88 A Q H X S+ 0 0 96 -4,-1.8 4,-2.5 -5,-0.2 -1,-0.2 0.912 110.2 49.8 -61.3 -43.0 3.7 -3.3 27.6 41 89 A A H X S+ 0 0 3 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.890 112.7 47.5 -64.4 -38.5 0.7 -1.0 26.9 42 90 A L H X S+ 0 0 3 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.882 110.3 51.6 -71.1 -38.9 1.6 -1.1 23.1 43 91 A R H X S+ 0 0 81 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.938 113.2 45.9 -61.6 -45.3 2.1 -4.8 23.1 44 92 A E H X S+ 0 0 87 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.899 113.1 47.7 -64.7 -42.5 -1.3 -5.3 24.7 45 93 A A H X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.902 111.6 52.3 -65.6 -40.0 -3.1 -2.8 22.5 46 94 A G H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.897 109.9 48.3 -62.6 -41.8 -1.5 -4.5 19.5 47 95 A D H X S+ 0 0 37 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.915 113.5 45.8 -65.5 -43.5 -2.7 -7.9 20.6 48 96 A E H X S+ 0 0 79 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.895 113.8 50.5 -66.2 -38.1 -6.2 -6.7 21.2 49 97 A F H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.910 113.2 45.4 -64.3 -44.1 -6.2 -4.9 17.8 50 98 A E H X S+ 0 0 55 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.890 110.1 52.9 -68.4 -42.2 -4.9 -8.0 16.1 51 99 A L H < S+ 0 0 127 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.881 116.1 41.3 -61.9 -35.8 -7.4 -10.3 17.7 52 100 A R H < S+ 0 0 112 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.828 134.0 15.7 -81.6 -32.9 -10.3 -8.1 16.7 53 101 A Y H >< S+ 0 0 28 -4,-2.2 3,-2.3 -5,-0.2 4,-0.3 0.122 73.7 128.6-131.7 25.9 -9.1 -7.3 13.1 54 102 A R G >< + 0 0 124 -4,-1.9 3,-1.5 1,-0.3 4,-0.2 0.721 67.5 72.1 -58.7 -19.5 -6.4 -9.7 12.0 55 103 A R G > S+ 0 0 178 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.772 88.3 64.9 -65.3 -22.5 -8.3 -10.4 8.7 56 104 A A G < S+ 0 0 18 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.662 101.7 48.3 -73.6 -15.8 -7.3 -7.0 7.6 57 105 A F G X S+ 0 0 11 -3,-1.5 3,-1.0 -4,-0.3 -1,-0.2 0.298 79.0 137.3-106.3 8.7 -3.6 -7.9 7.6 58 106 A S T < S- 0 0 64 -3,-1.0 5,-0.2 1,-0.3 -3,-0.1 -0.389 82.4 -19.0 -63.9 122.9 -4.0 -11.2 5.7 59 107 A D T 3> S+ 0 0 80 -2,-0.2 4,-2.5 1,-0.1 3,-0.4 0.880 74.6 165.1 46.6 52.9 -1.3 -11.7 3.0 60 108 A L H <> S+ 0 0 0 -3,-1.0 4,-2.9 1,-0.2 6,-0.3 0.870 72.2 61.8 -62.4 -36.1 -0.3 -8.0 2.9 61 109 A T H 4>S+ 0 0 7 1,-0.2 5,-2.4 2,-0.2 -1,-0.2 0.865 110.0 39.4 -59.4 -36.8 2.9 -9.1 1.0 62 110 A S H >45S+ 0 0 62 -3,-0.4 3,-0.8 3,-0.2 -2,-0.2 0.925 115.2 51.3 -77.7 -46.4 0.8 -10.5 -1.8 63 111 A Q H 3<5S+ 0 0 49 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.901 120.0 35.2 -55.9 -45.8 -1.8 -7.6 -1.8 64 112 A L T 3<5S- 0 0 3 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.406 106.4-126.6 -89.9 0.6 0.9 -5.0 -1.9 65 113 A H T < 5 - 0 0 137 -3,-0.8 -3,-0.2 -5,-0.2 2,-0.2 0.927 36.8-158.8 51.5 49.1 3.1 -7.1 -4.2 66 114 A I < + 0 0 10 -5,-2.4 -1,-0.2 -6,-0.3 3,-0.0 -0.383 26.1 154.8 -65.3 129.5 6.0 -6.5 -1.7 67 115 A T >> - 0 0 61 -2,-0.2 4,-1.8 -3,-0.1 3,-1.3 -0.931 57.5-101.1-144.9 159.6 9.5 -7.0 -2.9 68 116 A P T 34 S+ 0 0 63 0, 0.0 4,-0.5 0, 0.0 3,-0.1 0.883 122.5 50.4 -53.9 -38.2 12.7 -5.5 -1.6 69 117 A G T 34 S+ 0 0 75 1,-0.2 4,-0.2 2,-0.1 -3,-0.1 0.644 120.3 32.2 -77.1 -13.2 12.7 -2.9 -4.4 70 118 A T T <> S+ 0 0 52 -3,-1.3 4,-2.0 2,-0.1 -1,-0.2 0.445 92.4 93.8-120.4 -4.2 9.1 -1.8 -3.9 71 119 A A H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 5,-0.2 0.910 83.2 50.5 -57.0 -51.4 8.7 -2.2 -0.1 72 120 A Y H > S+ 0 0 126 -4,-0.5 4,-3.0 1,-0.2 5,-0.3 0.941 111.6 47.6 -55.0 -52.8 9.6 1.3 1.0 73 121 A Q H > S+ 0 0 120 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.908 113.8 47.0 -56.4 -45.3 7.2 3.0 -1.5 74 122 A S H X S+ 0 0 4 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.939 113.5 48.7 -63.9 -45.8 4.3 0.7 -0.5 75 123 A F H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.948 113.0 47.1 -57.7 -52.8 5.0 1.2 3.2 76 124 A E H X S+ 0 0 29 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.880 111.3 51.1 -58.3 -41.5 5.1 5.0 2.9 77 125 A Q H X S+ 0 0 48 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.918 111.1 47.8 -65.9 -39.8 2.0 5.1 0.8 78 126 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.965 117.0 41.5 -63.7 -52.2 0.0 3.1 3.2 79 127 A V H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.870 112.1 54.6 -65.4 -38.1 1.1 5.0 6.3 80 128 A N H < S+ 0 0 76 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.892 112.5 43.6 -63.6 -38.5 0.8 8.4 4.6 81 129 A E H >< S+ 0 0 24 -4,-1.8 3,-0.9 -5,-0.2 4,-0.4 0.858 107.5 59.5 -75.2 -33.7 -2.8 7.7 3.6 82 130 A L H 3< S+ 0 0 1 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.917 117.6 32.5 -58.7 -40.5 -3.6 6.3 7.1 83 131 A F T >< S+ 0 0 14 -4,-1.9 3,-1.4 1,-0.2 -1,-0.2 0.292 87.2 108.9-100.8 10.5 -2.6 9.7 8.6 84 132 A R T < S+ 0 0 145 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.904 89.4 29.4 -53.4 -48.1 -3.7 11.9 5.7 85 133 A D T 3 S- 0 0 94 -4,-0.4 -1,-0.3 -3,-0.3 2,-0.2 0.063 129.3 -42.8-105.0 26.5 -6.7 13.4 7.6 86 134 A G < - 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